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PDBsum entry 1bim
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Hydrolase/hydrolase inhibitor
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PDB id
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1bim
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Contents |
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* Residue conservation analysis
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References listed in PDB file
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Key reference
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Title
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Crystallographic studies on the binding modes of p2-P3 butanediamide renin inhibitors.
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Authors
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L.Tong,
S.Pav,
D.Lamarre,
B.Simoneau,
P.Lavallée,
G.Jung.
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Ref.
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J Biol Chem, 1995,
270,
29520-29524.
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PubMed id
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Note In the PDB file this reference is
annotated as "TO BE PUBLISHED".
The citation details given above were identified by an automated
search of PubMed on title and author
names, giving a
percentage match of
94%.
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Abstract
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The binding modes of three peptidomimetic P2-P3 butanediamide renin inhibitors
have been determined by x-ray crystallography. The inhibitors are bound with
their backbones in an extended conformation, and their side chains occupying the
S5 to S1' pockets. A (2-amino-4-thiazolyl)methyl side chain at the P2 position
shows stronger hydrogen-bonding and van der Waals interactions with renin than
the His side chain, which is present in the natural substrate. The
ACHPA-gamma-lactam transition state analog has similar interactions with renin
as the dihydroxyethylene transition state analog.
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